3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid

C11H11N3O3 — CID 82356546

IUPAC3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCC(C)c1nc2c(C(=O)O)cccn2c1N=O
InChIInChI=1S/C11H11N3O3/c1-6(2)8-10(13-17)14-5-3-4-7(11(15)16)9(14)12-8/h3-6H,1-2H3,(H,15,16)
InChIKeyDBLVIKVZRIGDRJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.55
Rot. Bonds3

About 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid

3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 82356546) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID82356546
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCC(C)c1nc2c(C(=O)O)cccn2c1N=O
InChIInChI=1S/C11H11N3O3/c1-6(2)8-10(13-17)14-5-3-4-7(11(15)16)9(14)12-8/h3-6H,1-2H3,(H,15,16)
InChIKeyDBLVIKVZRIGDRJ-UHFFFAOYSA-N
XLogP2.55
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine
CID 82356248
8-methoxy-2-propan-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 115405192
3-amino-2-tert-butylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355911
3-methyl-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride
CID 52983714
3-[(2-methylphenyl)diazenyl]-2-propan-2-ylimidazo[1,2-a]pyridin-8-ol
CID 82355729
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
2-(8-fluoro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82529262
8-chloro-3-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82529112
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
7-methyl-3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine
CID 82356376
2-ethyl-3-nitroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 83841739
3-benzyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 136756841

Frequently Asked Questions

What is the IUPAC name of 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid (CID 82356546) is 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid is CC(C)c1nc2c(C(=O)O)cccn2c1N=O.
What is the InChIKey of 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is DBLVIKVZRIGDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6(2)8-10(13-17)14-5-3-4-7(11(15)16)9(14)12-8/h3-6H,1-2H3,(H,15,16).
What are the key properties of 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid?
3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82356546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).